N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride

C17H25ClN4O — CID 22172673

IUPACN-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride
SMILESCCCCC(=O)Nc1cnc2cccnc2c1NCC(C)C.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-4-5-8-15(22)21-14-11-19-13-7-6-9-18-16(13)17(14)20-10-12(2)3;/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,19,20)(H,21,22);1H
InChIKeyRXIXTIGOPCAQTE-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.25
Rot. Bonds7

About N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride

N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride (PubChem CID 22172673) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride
PubChem CID22172673
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC NameN-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride
SMILESCCCCC(=O)Nc1cnc2cccnc2c1NCC(C)C.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-4-5-8-15(22)21-14-11-19-13-7-6-9-18-16(13)17(14)20-10-12(2)3;/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,19,20)(H,21,22);1H
InChIKeyRXIXTIGOPCAQTE-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride?
The IUPAC name of N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride (CID 22172673) is N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride?
The canonical SMILES for N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride is CCCCC(=O)Nc1cnc2cccnc2c1NCC(C)C.Cl.
What is the InChIKey of N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride?
The InChIKey is RXIXTIGOPCAQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-4-5-8-15(22)21-14-11-19-13-7-6-9-18-16(13)17(14)20-10-12(2)3;/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,19,20)(H,21,22);1H.
What are the key properties of N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride?
N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropylamino)-1,5-naphthyridin-3-yl]pentanamide;hydrochloride is sourced from PubChem (CID 22172673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).